1-(5-chloro-1H-indazol-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-ol

C12H12ClF3N2O — CID 134373726

IUPAC1-(5-chloro-1H-indazol-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-ol
SMILESCC(C)(C(O)c1cc(Cl)cc2cn[nH]c12)C(F)(F)F
InChIInChI=1S/C12H12ClF3N2O/c1-11(2,12(14,15)16)10(19)8-4-7(13)3-6-5-17-18-9(6)8/h3-5,10,19H,1-2H3,(H,17,18)
InChIKeyMYVNESLISCDVLP-UHFFFAOYSA-N
MW292.69 g/mol
LogP3.84
Rot. Bonds2

About 1-(5-chloro-1H-indazol-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-ol

1-(5-chloro-1H-indazol-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-ol (PubChem CID 134373726) has the molecular formula C12H12ClF3N2O and a molecular weight of 292.69 g/mol. Its IUPAC name is 1-(5-chloro-1H-indazol-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-1H-indazol-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-ol
PubChem CID134373726
Molecular FormulaC12H12ClF3N2O
Molecular Weight292.69 g/mol
Exact Mass292.06
IUPAC Name1-(5-chloro-1H-indazol-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-ol
SMILESCC(C)(C(O)c1cc(Cl)cc2cn[nH]c12)C(F)(F)F
InChIInChI=1S/C12H12ClF3N2O/c1-11(2,12(14,15)16)10(19)8-4-7(13)3-6-5-17-18-9(6)8/h3-5,10,19H,1-2H3,(H,17,18)
InChIKeyMYVNESLISCDVLP-UHFFFAOYSA-N
XLogP3.84
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.69
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indazol-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(5-chloro-1H-indazol-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-ol (CID 134373726) is 1-(5-chloro-1H-indazol-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(5-chloro-1H-indazol-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(5-chloro-1H-indazol-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-ol is CC(C)(C(O)c1cc(Cl)cc2cn[nH]c12)C(F)(F)F.
What is the InChIKey of 1-(5-chloro-1H-indazol-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-ol?
The InChIKey is MYVNESLISCDVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N2O/c1-11(2,12(14,15)16)10(19)8-4-7(13)3-6-5-17-18-9(6)8/h3-5,10,19H,1-2H3,(H,17,18).
What are the key properties of 1-(5-chloro-1H-indazol-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-ol?
1-(5-chloro-1H-indazol-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-ol has a molecular weight of 292.69 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-indazol-7-yl)-3,3,3-trifluoro-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 134373726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).